N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide

C20H30N2O3 — CID 110822281

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)14-19(24)22-10-8-16(9-11-22)21-18(23)13-15-6-5-7-17(12-15)25-4/h5-7,12,16H,8-11,13-14H2,1-4H3,(H,21,23)
InChIKeyWDRDAGAWASXEKZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.78
Rot. Bonds5

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 110822281) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID110822281
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)14-19(24)22-10-8-16(9-11-22)21-18(23)13-15-6-5-7-17(12-15)25-4/h5-7,12,16H,8-11,13-14H2,1-4H3,(H,21,23)
InChIKeyWDRDAGAWASXEKZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide (CID 110822281) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is WDRDAGAWASXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)14-19(24)22-10-8-16(9-11-22)21-18(23)13-15-6-5-7-17(12-15)25-4/h5-7,12,16H,8-11,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 110822281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).